SCHEMBL24680253

SCHEMBL24680253

CC(C)c1cc(O)cc2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
GABRA1 P14867 3/20 0.39
CYP3A4 P08684 3/20 0.39
GABRB2 P47870 2/20 0.39
LMNA P02545 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24632434 0.86 GABRA1 (0.44) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL27300600 0.81 GABRA1 (0.42) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL26232213 0.81 CYP2A6 (0.36) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL25905423 0.81 CYP1A2 (0.41) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL26707287 0.80 P2RX7 (0.38) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL24680368 0.79 ESR1 (0.35) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL24680262 0.79 CYP1A2 (0.39) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL26502473 0.79 GABRA1 (0.39) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL26502469 0.79 GABRA1 (0.39) CYP1A2GABRA1CYP3A4GABRB2LMNA
SCHEMBL25811577 0.79 GABRA1 (0.36) CYP1A2GABRA1CYP3A4GABRB2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
WO-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO disclosed
WO-2022247770-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海璎黎药业有限公司 2022-12-01 WO disclosed
WO-2022188729-A1 FUSED RING DERIVATIVES USEFUL AS KRAS G12D INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 CYP1A2 1218/4885GABRA1 211/4885CYP3A4 464/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP1A2 3478/4885GABRA1 3975/4885CYP3A4 3711/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.